P798
Id | 798 |
Inchikey | VTQCVTAGCLFPPX-LBPRGKRZSA-N |
Smiles | C[C@H](Nc1cnc(-n2cccc2)cn1)c1ccccn1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.975275 |
Binding_energy | -22.235902 |
Ligand_energy | 14.86068928465442 |
Placement | Placement_799 "DNV2_NS5A-x0472 w/ C799" |